ChemSpider 2D Image | CHAETOGLOBOSIN C | C32H36N2O5

CHAETOGLOBOSIN C

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID10235105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1E,4S,5E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-(1H-Indol-3-ylmethyl)-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7,8,11,12(4H,13H)-tetron [German] [ACD/IUPAC Name]
(1E,4S,5E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-(1H-Indol-3-ylmethyl)-4,6,15,15a-tetramethyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-7,8,11,12(4H,13H)-tetrone [ACD/IUPAC Name]
(1E,4S,5E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-(1H-Indol-3-ylméthyl)-4,6,15,15a-tétraméthyl-9,10,14,14a,15,15a,16a,16b-octahydro-3H-cyclotridéca[d]oxiréno[f]isoindole-7,8,11,12(4H,13H)-tétrone [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-7,8,11,12(4H,13H)-tetrone, 9,10,14,14a,15,15a,16a,16b-octahydro-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1E,4S,5E,11aR,14S,14aR,15S,15aR,16aS,16bR)- [ACD/Index Name]
50645-76-6 [RN]
CHAETOGLOBOSIN C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL502574/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 774.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 421.9±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 146.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 109 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 410.2±5.0 cm3

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